SCHEMBL11052453

SCHEMBL11052453

Cc1cc(C)c(NC(=N)NC(=O)NC(C)(C)C)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ TSHR P16473 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.49
▸ MAPT P10636 1/20 0.49
▸ KMT2A Q03164 3/20 0.48
▸ LMNA P02545 1/20 0.48
▸ POLB P06746 3/20 0.46
▸ HPGD P15428 1/20 0.46
▸ MEN1 O00255 2/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ LCK P06239 2/20 0.42
▸ MAPK1 P28482 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11053938 0.93 HTT (0.47) HTTL3MBTL1TSHRALDH1A1MAPT
SCHEMBL11052568 0.89 HTT (0.47) HTTL3MBTL1TSHRALDH1A1MAPT
SCHEMBL11053344 0.88 HTT (0.43) HTTL3MBTL1TSHRALDH1A1MAPT
SCHEMBL11049539 0.88 HTT (0.49) HTTL3MBTL1TSHRALDH1A1MAPT
SCHEMBL11057173 0.85 LCK (0.43) HTTL3MBTL1TSHRALDH1A1KMT2A
SCHEMBL11048657 0.85 HTT (0.47) HTTL3MBTL1TSHRALDH1A1KMT2A
SCHEMBL11049751 0.83 HTT (0.43) HTTL3MBTL1ALDH1A1MAPTKMT2A
SCHEMBL11049975 0.83 HTT (0.48) HTTL3MBTL1ALDH1A1MAPTKMT2A
SCHEMBL11252255 0.83 HTT (0.40) HTTL3MBTL1TSHRALDH1A1KMT2A
SCHEMBL11260411 0.82 HTT (0.43) HTTL3MBTL1ALDH1A1KMT2ALMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4488993-A Amidinoureas WILLIAM H. RORER, INC. 1984-12-18 — — US disclosed
US-4326074-A ANTIDIARRHEA AGENTS WILLIAM H. RORER, INC. (US) 1982-04-20 — — US disclosed
US-4220658-A Treatment of hypertension with amidinoureas WILLIAM H. RORER, INC. (US) 1980-09-02 — — US disclosed
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